[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone

C24H26ClN3O3 — CID 71511457

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone
SMILESCCCc1nc(-c2ccc(OC)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C24H26ClN3O3/c1-3-5-21-26-22(17-8-10-20(30-2)11-9-17)23(31-21)24(29)28-14-12-27(13-15-28)19-7-4-6-18(25)16-19/h4,6-11,16H,3,5,12-15H2,1-2H3
InChIKeyMYNDDCOZHTVRAE-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.92
Rot. Bonds6

About [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone (PubChem CID 71511457) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone
PubChem CID71511457
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone
SMILESCCCc1nc(-c2ccc(OC)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C24H26ClN3O3/c1-3-5-21-26-22(17-8-10-20(30-2)11-9-17)23(31-21)24(29)28-14-12-27(13-15-28)19-7-4-6-18(25)16-19/h4,6-11,16H,3,5,12-15H2,1-2H3
InChIKeyMYNDDCOZHTVRAE-UHFFFAOYSA-N
XLogP4.92
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone (CID 71511457) is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone is CCCc1nc(-c2ccc(OC)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone?
The InChIKey is MYNDDCOZHTVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-3-5-21-26-22(17-8-10-20(30-2)11-9-17)23(31-21)24(29)28-14-12-27(13-15-28)19-7-4-6-18(25)16-19/h4,6-11,16H,3,5,12-15H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone has a molecular weight of 439.94 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenyl)-2-propyl-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 71511457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).